2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid

Base Information

• Chemical Name: 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid
• CAS No.: 253607-91-9
• Molecular Formula: C13H12 F2 O3
• Molecular Weight: 254.23
• DSSTox Substance ID: DTXSID10384343
• Mol file: 253607-91-9.mol

Synonyms:253607-91-9;2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid;2,2-Difluoro-2-(5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl)acetic acid;2,2-DIFLUORO-2-(5-OXAHEXACYCLO[5.4.1.0(2,6).0(3,10).0(4,8).0(9,12)]DODEC-4-YL)ACETIC ACID;CROTONYLBROMIDE;Cambridge id 5144228;DTXSID10384343;HMS1680F06;CCG-54894;AKOS000301308;AKOS016344411;NCGC00319416-01;BB 0261509;FT-0677015;AB00074410-01;AB00074410-04;SR-01000643956-1;BRD-A65320312-001-02-0;Z56782350;2,2-Difluoro-2-(5-oxohexacyclo-dodec-4-yl)acetic acid;Difluoro(5-oxahexacyclo[5.4.1.0~2,6~.0~3,10~.0~4,8~.0~9,12~]dodecan-4-yl)acetic acid (non-preferred name)

Chemical Property of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid

Chemical Property:

• PSA: 46.53000
• LogP: 1.23160
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.07545056
• Heavy Atom Count: 18
• Complexity: 534

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C3C4C1C5C2C6C3C4C5(O6)C(C(=O)O)(F)F